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1.
Shubhandra Tripathi Akhil Kumar B. Sathish Kumar Arvind S. Negi 《Journal of biomolecular structure & dynamics》2016,34(6):1232-1240
Microtubule stabilizers provide an important mode of treatment via mitotic cell arrest of cancer cells. Recently, we reported two novel neolignans derivatives Cmp10 and Cmp19 showing anticancer activity and working as microtubule stabilizers at micromolar concentrations. In this study, we have explored the binding site, mode of binding, and stabilization by two novel microtubule stabilizers Cmp10 and Cmp19 using in silico molecular docking, molecular dynamics (MD) simulation, and binding free energy calculations. Molecular docking studies were performed to explore the β-tubulin binding site of Cmp10 and Cmp19. Further, MD simulations were used to probe the β-tubulin stabilization mechanism by Cmp10 and Cmp19. Binding affinity was also compared for Cmp10 and Cmp19 using binding free energy calculations. Our docking results revealed that both the compounds bind at Ptxl binding site in β-tubulin. MD simulation studies showed that Cmp10 and Cmp19 binding stabilizes M-loop (Phe272-Val288) residues of β-tubulin and prevent its dynamics, leading to a better packing between α and β subunits from adjacent tubulin dimers. In addition, His229, Ser280 and Gln281, and Arg278, Thr276, and Ser232 were found to be the key amino acid residues forming H-bonds with Cmp10 and Cmp19, respectively. Consequently, binding free energy calculations indicated that Cmp10 (?113.655 kJ/mol) had better binding compared to Cmp19 (?95.216 kJ/mol). This study provides useful insight for better understanding of the binding mechanism of Cmp10 and Cmp19 and will be helpful in designing novel microtubule stabilizers. 相似文献
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Liparis indiraii spec. nova from India is close toL. alata
A. Rich. andL. atropurpurea
Lindl. 相似文献
4.
Nripendra Vikram Singh Shilpa Parashuram Jyotsana Sharma Roopa Sowjanya Potlannagari Dhinesh Babu Karuppannan Ram Krishna Pal Prakash Patil Dhananjay M. Mundewadikar Vipul R. Sangnure P.V. Parvati Sai Arun Naresh V.R. Mutha Bipin Kumar Abhishek Tripathi Sathish Kumar Peddamma Harish Kothandaraman Sailu Yellaboina Dushyant Singh Baghel Umesh K. Reddy 《Saudi Journal of Biological Sciences》2020,27(12):3514-3528
5.
Mahendran Ganesan Kumar Deepak Verma Sanjeet Kumar Chandran Ashish Warsi ·Zafar Iqbal Husain Zakir Afroz Shama Rout Prasant Kumar Rahman Laiq Ur 《Plant Cell, Tissue and Organ Culture》2021,146(2):423-423
Plant Cell, Tissue and Organ Culture (PCTOC) - 相似文献
6.
BS Sabna Thankappan Bency Mahendran Ramasamy Muthusamy Gayathri Femil selta Daniel Raja Angayarkanni Jayaraman 《Probiotics and antimicrobial proteins》2021,13(4):993-1004
Probiotics and Antimicrobial Proteins - Gamma-aminobutyric acid (GABA) is a principal inhibitory neurotransmitter in the central nervous system and is produced by irreversible decarboxylation of... 相似文献
7.
Venkatasamy Vignesh Durairaj Rajesh Karuppaiah Parthiban Sridhar Arun Kamaraj Sathish Kumar Ramasamy Thirumurugan 《International journal of peptide research and therapeutics》2021,27(3):1709-1718
International Journal of Peptide Research and Therapeutics - Subtilosin A, a cyclic peptide from Bacillus subtilis is known for its antimicrobial activity against a diverse range of bacteria.... 相似文献
8.
Sathish Kumar Rabi Raja Singh Henry Finlay Godson Retna Ponmalar Paul Ravindran Sunil Dutt Sharma Subhashini John 《Reports of Practical Oncology and Radiotherapy》2021,26(1):93
BackgroundThe purpose of this study was to investigate the feasibility of MOSFET dosimeter in measuring eye dose during 2D MV portal imaging for setup verification in radiotherapy.Materials and methodsThe in-vivo dose measurements were performed by placing the dosimeters over the eyes of 30 brain patients during the acquisition of portal images in linear accelerator by delivering 1 MU with the field sizes of 10 × 10 cm2 and 15 × 15 cm2.ResultsThe mean doses received by the left and right eyes of 10 out of 30 patients when both eyes were completely inside the anterior portal field were found to be 2.56 ± 0.2 cGy and 2.75 ± 0.2, respectively. Similarly, for next 10 patients out of the same 30 patients the mean doses to left and right eyes when both eyes were completely out of the anterior portal fields were found to be 0.13 ± 0.02 cGy and 0.17 ± 0.02 cGy, respectively. The mean doses to ipsilateral and contralateral eye for the last 10 patients when one eye was inside the anterior portal field were found to be 3.28 ± 0.2 cGy and 0.36 ± 0.1 cGy, respectively.ConclusionThe promising results obtained during 2D MV portal imaging using MOSFET have shown that this dosimeter is well suitable for assessing low doses during imaging thereby enabling to optimize the imaging procedure using the dosimetric data obtained. In addition, the documentation of the dose received by the patient during imaging procedure is possible with the help of an in-built software in conjunction with the MOSFET reader module. 相似文献
9.
Karthik Sivabalan Pavan Gadamchetty Prasanth Arumugam Sathish Selvam Appunu Chinnaswamy Manickavasagam Markandan 《In vitro cellular & developmental biology. Plant》2021,57(2):190-201
In Vitro Cellular & Developmental Biology - Plant - Production of transformed bitter gourd plants through in vitro regeneration is a laborious practice, which may also result in somaclonal... 相似文献
10.
Kamala L. Kumar B. Sathish Lakshmi P. V. Anantha 《Russian Journal of Bioorganic Chemistry》2021,47(1):166-173
Russian Journal of Bioorganic Chemistry - A series of novel carbazol-thiazolidinedione hybrid derivatives were designed, synthesised and screened for antimicrobial activity against gram-positive... 相似文献